My 2023 highlights by Graphite:
Most of my packages are here: https://github.com/MineralsCloud
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Report abuseMy 2023 highlights by Graphite:
Most of my packages are here: https://github.com/MineralsCloud
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
[DEPRECATED] A formatter for the Julia language powered by JuliaFormatter.jl
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
Julia 13
A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems